SCHEMBL18095983

SCHEMBL18095983

c1ccc(CN2CCC(Nc3nc(N4CCN(c5ccccc5)CC4)nc4cc(OCC5CCN(CCNc6ccnc7ccccc67)CC5)ccc34)CC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DNMT3A Q9Y6K1 19/20 0.63
DNMT1 P26358 10/20 0.61
NSD2 O96028 1/20 0.49
EZH2 Q15910 1/20 0.49
EHMT2 Q96KQ7 1/20 0.49
NSD3 Q9BZ95 1/20 0.49
EHMT1 Q9H9B1 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20109385 0.90 DNMT3A (0.58) DNMT3ANSD2EZH2EHMT2NSD3
SCHEMBL20109391 0.90 DNMT3A (0.60) DNMT3ANSD2EZH2EHMT2NSD3
SCHEMBL18095979 0.89 DNMT3A (0.70) DNMT3ANSD2EZH2EHMT2NSD3
SCHEMBL17994888 0.86 DNMT3A (0.78) DNMT3ADNMT1NSD2
SCHEMBL18103391 0.83 DNMT3A (0.74) DNMT3ANSD2EZH2EHMT2NSD3
SCHEMBL18095982 0.83 DNMT3A (0.75) DNMT3ADNMT1
Hydrochloric Acid SCHEMBL18095980 0.82 DNMT3A (0.73) DNMT3ANSD2EZH2EHMT2NSD3
SCHEMBL18103410 0.81 DNMT3A (0.84) DNMT3ANSD2EZH2EHMT2NSD3
SCHEMBL18103380 0.79 DNMT3A (0.67) DNMT3ANSD2EZH2EHMT2NSD3
SCHEMBL16585878 0.78 DNMT3A (0.78) DNMT3ADNMT1NSD2EHMT2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10450299-B2 Substituted quinazoline derivatives as DNA methyltransferase inhibitors CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2019-10-22 US disclosed
US-20180118717-A1 Substituted Quinazoline Derivatives as DNA Methyltransferase Inhibitors CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2018-05-03 US disclosed
US-20180118717-A1 Substituted Quinazoline Derivatives as DNA Methyltransferase Inhibitors CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2018-05-03 US disclosed
EP-3277676-A1 SUBSTITUTED QUINAZOLINE DERIVATIVES AS DNA METHYLTRANSFERASE INHIBITORS Pierre Fabre Médicament (FR) 2018-02-07 EP disclosed
WO-2016151144-A1 SUBSTITUTED QUINAZOLINE DERIVATIVES AS DNA METHYLTRANSFERASE INHIBITORS PIERRE FABRE MEDICAMENT (FR) 2016-09-29 WO disclosed
WO-2016151144-A1 SUBSTITUTED QUINAZOLINE DERIVATIVES AS DNA METHYLTRANSFERASE INHIBITORS PIERRE FABRE MEDICAMENT (FR) 2016-09-29 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10450299-B2 Substituted quinazoline derivatives as DNA methyltransferase inhibitors DNMT1, DNMT3A, DNMT3B DNMT3A 2/4885DNMT1 1/4885NSD2 87/4885
US-20180118717-A1 Substituted Quinazoline Derivatives as DNA Methyltransferase Inhibitors DNMT1, DNMT3A, DNMT3B DNMT3A 2/4885DNMT1 1/4885NSD2 87/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.